Mol:FL3FAANP0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3936 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3936 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3936 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3936 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8373 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8373 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2810 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2810 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2810 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2810 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8373 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8373 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2753 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2753 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8316 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8316 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8316 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8316 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2753 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2753 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2753 -1.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2753 -1.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3877 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3877 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9546 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9546 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5216 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5216 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5216 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5216 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9546 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9546 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3877 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3877 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8373 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8373 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8373 0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8373 0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0623 0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0623 0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3934 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3934 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3934 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3934 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8373 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8373 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9495 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9495 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9499 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9499 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5062 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5062 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5062 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5062 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9499 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9499 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0623 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0623 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5062 0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5062 0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 2 1 0 0 0 0 | + | 28 2 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANP0005 | + | ID FL3FAANP0005 |
| − | KNApSAcK_ID C00004094 | + | KNApSAcK_ID C00004094 |
| − | NAME Isolaxifolin;5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | + | NAME Isolaxifolin;5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| − | CAS_RN 144049-82-1 | + | CAS_RN 144049-82-1 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES c(c32)(C(=O)C=C(c(c4)ccc(c4)O)O3)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C | + | SMILES c(c32)(C(=O)C=C(c(c4)ccc(c4)O)O3)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.3936 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3936 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2810 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2810 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2753 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8316 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8316 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2753 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2753 -1.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9546 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5216 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5216 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9546 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0623 0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3934 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3934 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9495 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9499 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5062 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5062 -0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9499 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0623 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5062 0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
20 15 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 2 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
S SKP 8
ID FL3FAANP0005
KNApSAcK_ID C00004094
NAME Isolaxifolin;5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 144049-82-1
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES c(c32)(C(=O)C=C(c(c4)ccc(c4)O)O3)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C
M END
